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52685-70-8 | 1H-Imidazole-4,5-dicarbonitrile,2-(1-methylethyl)-(9CI)
CAS No: 52685-70-8 Catalog No: AG00DX8Y MDL No:
Product Description
Catalog Number:
AG00DX8Y
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile,2-(1-methylethyl)-(9CI)
CAS Number:
52685-70-8
IUPAC Name:
2-propan-2-yl-1H-imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C8H8N4/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5H,1-2H3,(H,11,12)
InChI Key:
KJKRFCJIBADVJQ-UHFFFAOYSA-N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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